| QSAR Study of Nitrobenzenes’ Toxicity to Tetrahymena Pyriformis Using Semi-empirical Quantum Chemical Methods |
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| 引用本文： | 闫秀芬,肖鹤鸣. QSAR Study of Nitrobenzenes’ Toxicity to Tetrahymena Pyriformis Using Semi-empirical Quantum Chemical Methods[J]. 结构化学, 2007, 0(1) |
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| 作者姓名： | 闫秀芬 肖鹤鸣 |
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| 作者单位： | Institute for Computation in Molecular and Material Science School of Chemical Engineering Nanjing University of Science and Technology，Institute for Computation in Molecular and Material Science School of Chemical Engineering Nanjing University of Science and Technology，Nanjing 210094 China，Nanjing 210094 China |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China (No.10576030) |
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| 摘 要： | 1 INTRODUCTION Nitrobenzenes are an important class of industrial chemicals produced with substantial marketing volu-mes and a diverse range of use patterns[1].They are widely used as pesticides,solvents,explosives,dye-stuffs,etc.Most of the nitrobenzenes together with their derivatives are toxic,and they can cause dam-nification of human kidney,liver,eye,skin,blood system and so on[2～4].It is reported that all nitro-benzenes and their metabolites have mutagenicity,which induces the cyto…
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QSAR Study of Nitrobenzenes’ Toxicity to Tetrahymena Pyriformis Using Semi-empirical Quantum Chemical Methods |
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| Abstract: | |
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| Keywords: | nitrobenzenes toxicity QSAR semi-empirical MO orbital methods |
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